V2NiAgO6
Alexandria ALEXAlex-ID: agm004975889 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_823_spg15
V2NiO6 Ag
2023-01-15 06:33:29.448021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004975889).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004975889
data_agm004975889
_cell_length_a 5.93494
_cell_length_b 7.48631
_cell_length_c 7.48631
_cell_angle_alpha 79.30949
_cell_angle_beta 71.29656
_cell_angle_gamma 71.29656
_cell_volume 297.14967
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
V1 V 0.29909 0.78782 0.59621 1.00000
V2 V 0.20091 0.40379 0.21218 1.00000
V3 V 0.70091 0.21218 0.40379 1.00000
V4 V 0.79909 0.59621 0.78782 1.00000
Ni1 Ni 0.25000 0.18909 0.81091 1.00000
Ni2 Ni 0.75000 0.81091 0.18909 1.00000
Ag1 Ag 0.25000 0.90715 0.09285 1.00000
Ag2 Ag 0.75000 0.09285 0.90715 1.00000
O1 O 0.17501 0.97779 0.72764 1.00000
O2 O 0.32499 0.27236 0.02221 1.00000
O3 O 0.82499 0.02221 0.27236 1.00000
O4 O 0.67501 0.72764 0.97779 1.00000
O5 O 0.40237 0.86076 0.36350 1.00000
O6 O 0.09763 0.63650 0.13924 1.00000
O7 O 0.59763 0.13924 0.63650 1.00000
O8 O 0.90237 0.36350 0.86076 1.00000
O9 O 0.05987 0.67269 0.63117 1.00000
O10 O 0.44013 0.36883 0.32731 1.00000
O11 O 0.94013 0.32731 0.36883 1.00000
O12 O 0.55987 0.63117 0.67269 1.00000
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